1,3-Dithiolane

Base Information

• Chemical Name: 1,3-Dithiolane
• CAS No.: 4829-04-3
• Molecular Formula: C3H6S2
• Molecular Weight: 106.213
• Hs Code.: 2934999090
• NSC Number: 193357
• UNII: 341G58G6YL
• DSSTox Substance ID: DTXSID90197473
• Nikkaji Number: J91.134H
• Wikipedia: Dithiolane
• Wikidata: Q27117371
• Metabolomics Workbench ID: 55773
• Mol file: 4829-04-3.mol

Synonyms:1,3-dithiolane

Chemical Property of 1,3-Dithiolane

Chemical Property:

• Vapor Pressure: 1.57mmHg at 25°C
• Melting Point: 68 °C
• Refractive Index: 1.599
• Boiling Point: 175 °C at 760 mmHg
• Flash Point: 63.6 °C
• PSA: 50.60000
• Density: 1.211 g/cm³
• LogP: 1.42390
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 105.99109254
• Heavy Atom Count: 5
• Complexity: 24.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dithiolane 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1CSCS1

Technology Process of 1,3-Dithiolane

There total 2 articles about 1,3-Dithiolane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 49.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + ethane-1,2-dithiol (540-63-6) → 1,3-dithiolane (4829-04-3) + 1,4-Dithiane (505-29-3) + 3-methylideneamino-1,5,3-dithiazepane (1449678-80-1) + 1,3,6,8-tetrathiecane (154729-78-9)

Guidance literature:

With hydrogenchloride; hydrazine hydrate; In water; at 20 ℃; pH=0.45 - 0.5;

DOI:10.1007/s11172-012-0301-5

Reference yield: 36.0%

2-ethoxy-[1,3]dithiolane (65225-59-4) → 1,3-dithiolane (4829-04-3) + 1,3-dithiolan-2-one (2080-58-2) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With di-tert-butyl peroxide; In chlorobenzene; at 130 ℃; for 4h; Mechanism; Product distribution; other initiator; other temperature; other time;

Reference yield: 52.0%

1,3-dithiolane (4829-04-3) + chloroamine-T (127-65-1) → N-<1,3>-dithiolan-1-ylidene-4-methylbenzenesulfonamide

Guidance literature:

With cetyltributylphosphonium bromide; In dichloromethane; for 2h; Ambient temperature;

upstream raw materials:

2-ethoxy-[1,3]dithiolane

formaldehyd

ethane-1,2-dithiol

Downstream raw materials:

1,3-dithiolane-2-thione

1,3-dithiolane-S,S-tetroxide

2-hexyl-1,3-dithiolane

formaldehyd

Refernces

• 1、 Batyrbaev, N. A.,Zorin, V. V.,Zlotskii, S. S.,Rakhmankulov, D. L.. "HOMOLYTIC LIQUID-PHASE TRANSFORMATIONS OF 2-ETHOXY-1,3-DITHIOLANE AND 2-ETHOXY-1,3-OXATHIOLANE". . p. 1369 - 1371. Retrieved 2007/10/02.